Crystal Growth & Design· 2014Q2
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
- 3,144citations
- Q2SCImago
- 2014year
Short summary
The ToposPro software package offers a unified approach to the topological analysis of diverse crystal structures, enabling consistent treatment of chemically and crystallographically distinct materials.
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Key points
- ToposPro provides a unified method for topological analysis of crystal structures.
- The software can automatically treat diverse chemical compound classes similarly.
- Applications span coordination polymers, molecular crystals, intermetallics, and more.
- It enables consistent crystallographic and chemical structure analysis.
AI-generated from the title and abstract; the full text is not read.
Abstract
High Resolution Image Download MS PowerPoint Slide Basic concepts of computer topological analysis of crystal structures realized in the current version of the program package ToposPro are considered. Applications of the ToposPro methods to various classes of chemical compounds—coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials—are illustrated by many examples. It is shown that chemically and crystallographically different structures can be automatically treated in a similar way with the ToposPro approaches.
The authors' abstract, as published at the source. Crystal Growth & Design, 2014 · DOI ↗
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Field: Inorganic Chemistry
Inorganic ChemistryChemistry